6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane

C73H110N11O15P3 — CID 160566801

About 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane

6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane (PubChem CID 160566801) has the molecular formula C73H110N11O15P3 and a molecular weight of 1474.67 g/mol. Its IUPAC name is 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane.

Molecular Properties

• Compound Name: 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane
• PubChem CID: 160566801
• Molecular Formula: C73H110N11O15P3
• Molecular Weight: 1474.67 g/mol
• Exact Mass: 1473.74
• IUPAC Name: 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane
• SMILES: C.C=C1N=C(N)C(C#CC)=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(N)n/c2=N\CCCCC(C)C(=O)O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(N)n/c2=N\CCCCC(C)C(=O)OC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C35H45N4O7P.C20H35N4O5P.C17H26N3O3P.CH4/c1-22(33(42)46-35(43)44-21-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27)11-9-10-18-37-34-38-29(36)16-19-39(34)32-31(41)30(40)28(45-32)17-20-47(2,3)4;1-13(19(27)28)7-5-6-10-22-20-23-15(21)8-11-24(20)18-17(26)16(25)14(29-18)9-12-30(2,3)4;1-6-7-12-10-20(11(2)19-16(12)18)17-15(22)14(21)13(23-17)8-9-24(3,4)5;/h5-8,12-16,19,22,27-28,30-32,40-41H,2,9-11,17-18,20-21H2,1,3-4H3,(H2,36,37,38);8,11,13-14,16-18,25-26H,2,5-7,9-10,12H2,1,3-4H3,(H,27,28)(H2,21,22,23);10,13-15,17,21-22H,2-3,8-9H2,1,4-5H3,(H2,18,19);1H4/t22?,28-,30-,31-,32-;13?,14-,16-,17-,18-;13-,14-,15-,17-;/m111./s1
• InChIKey: RAAIHQSNAWDLIO-ISHDKJEPSA-N
• XLogP: 6.58
• TPSA: 392.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1474.67
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane?

The IUPAC name of 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane (CID 160566801) is 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane.

What is the SMILES notation for 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane?

The canonical SMILES for 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane is C.C=C1N=C(N)C(C#CC)=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(N)n/c2=N\CCCCC(C)C(=O)O)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2ccc(N)n/c2=N\CCCCC(C)C(=O)OC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@@H]1O.

What is the InChIKey of 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane?

The InChIKey is RAAIHQSNAWDLIO-ISHDKJEPSA-N. The full InChI is InChI=1S/C35H45N4O7P.C20H35N4O5P.C17H26N3O3P.CH4/c1-22(33(42)46-35(43)44-21-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27)11-9-10-18-37-34-38-29(36)16-19-39(34)32-31(41)30(40)28(45-32)17-20-47(2,3)4;1-13(19(27)28)7-5-6-10-22-20-23-15(21)8-11-24(20)18-17(26)16(25)14(29-18)9-12-30(2,3)4;1-6-7-12-10-20(11(2)19-16(12)18)17-15(22)14(21)13(23-17)8-9-24(3,4)5;/h5-8,12-16,19,22,27-28,30-32,40-41H,2,9-11,17-18,20-21H2,1,3-4H3,(H2,36,37,38);8,11,13-14,16-18,25-26H,2,5-7,9-10,12H2,1,3-4H3,(H,27,28)(H2,21,22,23);10,13-15,17,21-22H,2-3,8-9H2,1,4-5H3,(H2,18,19);1H4/t22?,28-,30-,31-,32-;13?,14-,16-,17-,18-;13-,14-,15-,17-;/m111./s1.

What are the key properties of 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane?

6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane has a molecular weight of 1474.67 g/mol, XLogP of 6.58, 26 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoic acid;(2R,3R,4S,5R)-2-(4-amino-2-methylidene-5-prop-1-ynylpyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;9H-fluoren-9-ylmethoxycarbonyl 6-[[4-amino-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-ylidene]amino]-2-methylhexanoate;methane is sourced from PubChem (CID 160566801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).